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Theoretical investigation of the mechanisms of reactions of H2CN and H2SiN with NO
- Source :
- Journal of Physical Chemistry A. July 20, 2006, Vol. 110 Issue 28, p8893, 8 p.
- Publication Year :
- 2006
-
Abstract
- A study of the mechanisms of the reaction of H2XN (X = C, Si) is conducted with NO at the level CCSD(T)/aug-cc-PVTZ/B3LYP/6-31++G(d,p). The results indicate that there are two favorable reaction pathways in the reaction H2CN + NO that have similar energy barriers.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 110
- Issue :
- 28
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.149896904